Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL1915574

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Cc1cn(-c2ccc(Nc3nc4c(s3)CCCC4c3ccccc3)cc2C(F)(F)F)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1915574
Phase Preclinical
Structure Type MOL
InChI Key GXSBCRAZHCYUOY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

454.5
MW (Da)
6.87
ALogP
5
HBA
1
HBD
42.7
PSA (Ų)
0.37
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H21F3N4S
MW 454.52
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.40

Literature References

PubMed DOI Target Context # Activities
21924610 10.1016/j.bmcl.2011.08.060 Cytochrome P450 2D6 1
21924610 10.1016/j.bmcl.2011.08.060 Gamma-secretase 1

Data from ChEMBL 36 via Core Engine